SCHEMBL9433574

SCHEMBL9433574

COC(=O)C1=C(C)NC(C)=C(c2cccnc2)C1c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 5/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 4/20 0.45
ADORA3 P0DMS8 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HIF1A Q16665 3/20 0.45
CACNA1C Q13936 2/20 0.45
GMNN O75496 2/20 0.45
ABCB11 O95342 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10432453 0.89 KDM4E (0.49) KDM4EHSD17B10HPGDALDH1A1CYP3A4
SCHEMBL9434792 0.88 CACNA1B (0.43) ALDH1A1MAPTCACNA1CMAPK1CACNA1B
SCHEMBL9434419 0.87 KDM4E (0.49) KDM4EHSD17B10HPGDALDH1A1CYP3A4
SCHEMBL9434605 0.87 NR1I2 (0.52) KDM4EHSD17B10HPGDALDH1A1CYP3A4
SCHEMBL9434070 0.87 KDM4E (0.47) KDM4EHSD17B10HPGDALDH1A1CYP3A4
SCHEMBL9434798 0.85 KMT2A (0.47) KDM4EHSD17B10HPGDALDH1A1CYP3A4
SCHEMBL9433816 0.85 CACNA1C (0.46) KDM4EHSD17B10HPGDALDH1A1CYP3A4
SCHEMBL10432690 0.84 HSD17B10 (0.48) KDM4EHSD17B10HPGDALDH1A1CYP3A4
SCHEMBL9433913 0.83 CYP2C9 (0.61) KDM4EHSD17B10HPGDALDH1A1CYP3A4
SCHEMBL9434515 0.82 PDE1C (0.69) KDM4EHSD17B10HPGDALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed